SCHEMBL4451044

SCHEMBL4451044

O=C=NSSC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4454640 0.76 ALDH1A1 (0.42) ALDH1A1
Cyclohexane SCHEMBL4451045 0.74 ALDH1A1 (0.35) ALDH1A1
Acetone SCHEMBL5713246 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7618850 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL299921 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22406167 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11419865 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10887320 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7315415 0.65
SCHEMBL575795 0.64 ALDH1A1 (0.36) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed